CID 3058868

Brn 4517400

Structural Information

Molecular Formula
C13H10N2O4S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)C#N
InChI
InChI=1S/C13H10N2O4S/c1-9(16)15-10-2-5-12(6-3-10)20(17,18)13-7-4-11(8-14)19-13/h2-7H,1H3,(H,15,16)
InChIKey
JUQGWIATLNWKGF-UHFFFAOYSA-N
Compound name
N-[4-(5-cyanofuran-2-yl)sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.03613 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.04341 175.4
[M+Na]+ 313.02535 186.3
[M-H]- 289.02885 182.5
[M+NH4]+ 308.06995 189.8
[M+K]+ 328.99929 183.3
[M+H-H2O]+ 273.03339 162.2
[M+HCOO]- 335.03433 191.0
[M+CH3COO]- 349.04998 208.2
[M+Na-2H]- 311.01080 177.2
[M]+ 290.03558 174.3
[M]- 290.03668 174.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.